SCHEMBL5898722

SCHEMBL5898722

COc1ccc([O])c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
CYP3A4 P08684 4/20 0.57
MAPK1 P28482 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
TRIM24 O15164 1/20 0.57
TYR P14679 1/20 0.57
TRIM33 Q9UPN9 1/20 0.57
ERN1 O75460 1/20 0.52
CYP1A2 P05177 3/20 0.50
LMNA P02545 3/20 0.50
CYP2C19 P33261 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
PGR P06401 2/20 0.50
SLC6A2 P23975 2/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL67498 0.78 ALDH1A1 (0.61) NPC1RAB9ACYP3A4MAPK1ALDH1A1
SCHEMBL29950410 0.78 ALDH1A1 (0.61) NPC1RAB9ACYP3A4MAPK1ALDH1A1
SCHEMBL340086 0.78 NPC1 (0.60) NPC1RAB9ACYP3A4MAPK1ALDH1A1
Formaldehyde SCHEMBL8164524 0.77 NPC1 (0.59) NPC1RAB9ACYP3A4MAPK1ALDH1A1
SCHEMBL4396937 0.74 CYP1A2 (0.48) ALDH1A1HPGDCYP1A2SMN1; SMN2KDM4E
SCHEMBL595279 0.74 CA12 (0.62) NPC1CYP3A4ALDH1A1HPGDCYP1A2
SCHEMBL581508 0.74 TUBB4A (0.63) NPC1RAB9ACYP3A4MAPK1ALDH1A1
SCHEMBL929945 0.74 CYP3A4 (0.56) NPC1RAB9ACYP3A4MAPK1ALDH1A1
SCHEMBL29365072 0.74 NPC1 (1.00) NPC1RAB9ACYP3A4MAPK1ALDH1A1
SCHEMBL38652 0.74 NPC1 (1.00) NPC1RAB9ACYP3A4MAPK1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084219-B2 Contact product, and catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-01 US disclosed
US-20040209767-A1 Contact product, and catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2004-10-21 US disclosed